4-TERT-BUTYLCYCLOHEXANOL

4-tert-Butylcyclohexanol is a substituted cycloaliphatic alcohol used principally as a fragrance material and fragrance intermediate.
4-tert-Butylcyclohexanol normally consists of cis and trans stereoisomers whose proportions influence melting behavior, odor profile, and downstream product quality.
4-tert-Butylcyclohexanol provides dry woody, camphoraceous, earthy, patchouli-like, and leather-like odor characteristics and is an important precursor for 4-tert-butylcyclohexyl esters.

CAS Number: 98-52-2
EC Number: 202-676-4
Molecular Formula: C₁₀H₂₀O
Molecular Weight: 156.27 g/mol

SYNONYMS

Cyclohexanol, 4-(1,1-dimethylethyl)-, Cyclohexanol, 4-tert-butyl-, 4-tert-Butylcyclohexan-1-ol, 4-(tert-Butyl)cyclohexan-1-ol, 4-(1,1-Dimethylethyl)cyclohexan-1-ol, 4-t-Butylcyclohexanol, p-tert-Butylcyclohexanol, para-tert-Butylcyclohexanol, PTBCH, PTBCHA Alcohol, tert-Butylcyclohexanol, 4-tertiary-Butylcyclohexanol, cis-4-tert-Butylcyclohexanol, trans-4-tert-Butylcyclohexanol, cis-p-tert-Butylcyclohexanol, trans-p-tert-Butylcyclohexanol, cis-4-(1,1-Dimethylethyl)cyclohexanol, trans-4-(1,1-Dimethylethyl)cyclohexanol, cis-4-tert-Butylcyclohexan-1-ol, trans-4-tert-Butylcyclohexan-1-ol, 4-tert-Butylcyclohexanol cis/trans Mixture, 4-tert-Butylcyclohexanol Isomer Mixture, cis/trans-4-tert-Butylcyclohexanol, 4-tert-Butyl-1-cyclohexanol, 1-Hydroxy-4-tert-butylcyclohexane, 4-tert-Butylcyclohexyl Alcohol, p-tert-Butylcyclohexyl Alcohol, para-tert-Butylcyclohexyl Alcohol, Patchouli-Type Cyclohexanol, Woody Cyclohexanol, Fragrance-Grade 4-tert-Butylcyclohexanol, High-cis 4-tert-Butylcyclohexanol, High-trans 4-tert-Butylcyclohexanol, Technical 4-tert-Butylcyclohexanol, Reagent-Grade 4-tert-Butylcyclohexanol, Analytical-Grade 4-tert-Butylcyclohexanol, 4-tert-Butylcyclohexanol Analytical Standard, 4-tert-Butylcyclohexyl Acetate Precursor, Alkyl-Substituted Cyclohexanol, tert-Butyl-Substituted Cycloaliphatic Alcohol, Secondary Cycloaliphatic Alcohol, C₁₀ Cycloaliphatic Alcohol, C₁₀H₂₀O, CAS 98-52-2, EC 202-676-4, PubChem CID 7391, DTXSID5026623, CCOQPGVQAWPUPE-UHFFFAOYSA-N

APPLICATIONS

4-tert-Butylcyclohexanol serves as a fragrance ingredient in compositions requiring a dry, powerful, woody, camphoraceous character.
4-tert-Butylcyclohexanol contributes earthy, leathery, smoky, pine-like, and patchouli-associated nuances to complex perfume accords.
4-tert-Butylcyclohexanol supports fragrance structures in which strong woody diffusion and long-lasting background character are required.
4-tert-Butylcyclohexanol enables perfumers to reinforce woody bases without relying entirely on variable natural extracts.

4-tert-Butylcyclohexanol functions as a component of artificial patchouli bases and patchouli-inspired fragrance compositions.
4-tert-Butylcyclohexanol strengthens the dry, earthy, woody, and leather-like aspects associated with patchouli-type accords.
4-tert-Butylcyclohexanol supports reproducible fragrance character where natural patchouli oils may vary according to origin, harvest, and processing.
4-tert-Butylcyclohexanol contributes power and diffusiveness while allowing the fragrance formulator to adjust camphoraceous intensity through dosage and isomer selection.

4-tert-Butylcyclohexanol finds application in soap fragrances requiring strong odor performance in an alkaline product base.
4-tert-Butylcyclohexanol contributes persistent woody and camphoraceous notes capable of remaining perceptible after the more volatile fragrance ingredients have evaporated.
4-tert-Butylcyclohexanol supports fragrance diffusion during washing and during subsequent drying of the treated surface.
4-tert-Butylcyclohexanol requires color, odor, alkaline-stability, and finished-product compatibility testing before commercial use.

4-tert-Butylcyclohexanol serves as a fragrance component in liquid detergents, laundry products, fabric-care formulations, and cleaning concentrates.
4-tert-Butylcyclohexanol helps mask odors associated with surfactants, builders, solvents, enzymes, polymers, and other functional raw materials.
4-tert-Butylcyclohexanol contributes a durable woody base that can complement floral, herbal, green, citrus, amber, and musk notes.
4-tert-Butylcyclohexanol supports fragrance retention when its solubility and distribution in the complete detergent system are properly controlled.

4-tert-Butylcyclohexanol functions as an odorant in household cleaners, floor cleaners, bathroom cleaners, and multipurpose cleaning products.
4-tert-Butylcyclohexanol provides dry woody character capable of reducing the sensory impact of strongly alkaline, acidic, or solvent-like product odors.
4-tert-Butylcyclohexanol supports distinctive fragrance identities for technical products intended to convey cleanliness, strength, or natural wood character.
4-tert-Butylcyclohexanol requires stability testing with oxidants, hypochlorite, peroxides, acids, bases, and reactive cleaning ingredients.

4-tert-Butylcyclohexanol finds application in air-care formulations, solid air fresheners, fragrance gels, and controlled-release fragrance systems.
4-tert-Butylcyclohexanol contributes low-volatility woody character that remains after lighter top notes have dispersed.
4-tert-Butylcyclohexanol supports gradual fragrance release from compatible polymer, wax, gel, porous, and encapsulated matrices.
4-tert-Butylcyclohexanol requires evaluation of crystallization, migration, staining, carrier compatibility, and odor evolution over the intended service life.

4-tert-Butylcyclohexanol serves as a fragrance or masking ingredient in selected topical personal-care and natural-health product formulations.
4-tert-Butylcyclohexanol helps reduce perception of undesirable odors originating from active ingredients, botanical extracts, oils, surfactants, and packaging materials.
4-tert-Butylcyclohexanol contributes a dry woody base to creams, lotions, cleansing products, deodorizing products, and other compatible topical preparations.
4-tert-Butylcyclohexanol must be used within the concentration, exposure, purity, and product-category requirements applicable to the finished formulation.

4-tert-Butylcyclohexanol functions as a fragrance ingredient in hair-care preparations, including shampoos, conditioners, masks, styling products, and scalp treatments.
4-tert-Butylcyclohexanol supports masking of odors associated with surfactants, proteins, reducing agents, botanical extracts, and conditioning polymers.
4-tert-Butylcyclohexanol contributes woody persistence on hair fibers after rinsing when incorporated through a suitable fragrance-delivery system.
4-tert-Butylcyclohexanol requires finished-product assessment for deposition, odor intensity, sensitization potential, stability, and packaging interaction.

4-tert-Butylcyclohexanol serves as an intermediate for producing 4-tert-butylcyclohexyl acetate.
4-tert-Butylcyclohexanol reacts with acetic acid, acetic anhydride, or another suitable acetylating system to form the corresponding acetate ester.
4-tert-Butylcyclohexanol enables control of the cis-to-trans ratio in the resulting acetate through selection of the starting alcohol’s stereoisomeric composition.
4-tert-Butylcyclohexanol with a high cis-isomer content is particularly valuable where the odor quality of the cis-rich acetate is preferred.

4-tert-Butylcyclohexanol functions as a precursor for propionate, butyrate, formate, carbonate, and other 4-tert-butylcyclohexyl derivatives.
4-tert-Butylcyclohexanol enables modification of odor, volatility, polarity, hydrolysis behavior, and physical form through esterification.
4-tert-Butylcyclohexanol supports development of fragrance intermediates with sensory properties different from those of the free alcohol.
4-tert-Butylcyclohexanol requires derivative-specific toxicological, environmental, regulatory, and performance evaluation because the parent alcohol’s data cannot automatically be transferred to every ester.

4-tert-Butylcyclohexanol finds application as a cycloaliphatic alcohol building block in fine-chemical synthesis.
4-tert-Butylcyclohexanol provides a sterically hindered cyclohexane structure containing a reactive secondary hydroxyl group.
4-tert-Butylcyclohexanol supports oxidation, esterification, etherification, substitution, dehydration, and other controlled transformations.
4-tert-Butylcyclohexanol enables preparation of specialized intermediates for fragrance, materials, and organic-chemistry research.

4-tert-Butylcyclohexanol serves as a starting material for oxidation to 4-tert-butylcyclohexanone.
4-tert-Butylcyclohexanol allows the secondary alcohol group to be converted into a ketone while preserving the tert-butyl-substituted cyclohexane framework.
4-tert-Butylcyclohexanol supports studies comparing alcohol and ketone odor, reactivity, conformation, and physical properties.
4-tert-Butylcyclohexanol requires selective oxidation conditions that limit dehydration, overoxidation, isomerization, and formation of colored by-products.

4-tert-Butylcyclohexanol functions as a model compound in stereochemical and conformational research.
4-tert-Butylcyclohexanol provides cis and trans isomers whose substituent orientations influence molecular shape and crystal packing.
4-tert-Butylcyclohexanol supports investigation of axial and equatorial hydroxyl-group behavior in a tert-butyl-constrained cyclohexane ring.
4-tert-Butylcyclohexanol enables correlation of stereochemistry with melting point, odor quality, reaction rate, and product selectivity.

4-tert-Butylcyclohexanol serves as a reference substrate in catalytic-hydrogenation research involving alkylphenols and cyclohexanones.
4-tert-Butylcyclohexanol supports comparison of rhodium, ruthenium, palladium, nickel, and related catalyst systems.
4-tert-Butylcyclohexanol enables measurement of conversion, yield, cis selectivity, trans selectivity, and by-product formation.
4-tert-Butylcyclohexanol contributes to development of batch and continuous processes for stereoselective cycloaliphatic alcohol production.

4-tert-Butylcyclohexanol finds application in process-development studies focused on catalytic hydrogenation of 4-tert-butylphenol.
4-tert-Butylcyclohexanol provides a measurable product through which catalyst activity, hydrogen pressure, temperature, solvent, acidity, and residence time can be evaluated.
4-tert-Butylcyclohexanol supports optimization of production routes intended to achieve high yield and controlled isomer distribution.
4-tert-Butylcyclohexanol enables downstream fragrance performance to be connected directly with upstream catalytic selectivity.

4-tert-Butylcyclohexanol functions as an analytical reference material for gas-chromatographic determination of cis and trans isomers.
4-tert-Butylcyclohexanol supports calibration of methods used to measure purity, isomer ratio, residual ketone, residual phenol, and other process impurities.
4-tert-Butylcyclohexanol provides established mass-spectral, infrared, and chromatographic reference information for identity confirmation.
4-tert-Butylcyclohexanol requires a characterized isomer composition when used for quantitative stereochemical analysis.

4-tert-Butylcyclohexanol serves as a reference odorant in fragrance evaluation and perfumer training.
4-tert-Butylcyclohexanol enables assessors to study dry woody, camphoraceous, earthy, leathery, and patchouli-like odor facets.
4-tert-Butylcyclohexanol supports comparison of the free alcohol with its acetate and other ester derivatives.
4-tert-Butylcyclohexanol helps demonstrate how cis-to-trans ratio influences odor strength and character.

4-tert-Butylcyclohexanol finds application in flavor research when an isomerically defined trans grade is used under applicable authorization.
4-tert-Butylcyclohexanol in the specified trans form provides a woody and patchouli-associated sensory profile.
4-tert-Butylcyclohexanol trans material requires compliance with the separate identity, CAS Number, assay, purity, and use requirements established for that stereoisomer.
4-tert-Butylcyclohexanol sold under the general CAS Number 98-52-2 must not automatically be treated as equivalent to the authorized trans-isomer specification.

4-tert-Butylcyclohexanol serves as a research ingredient in experimental topical formulations investigating sensory comfort and irritation perception.
4-tert-Butylcyclohexanol in trans-enriched form has been described in patent literature as a component of compositions designed to reduce certain sensations of skin irritation.
4-tert-Butylcyclohexanol supports formulation studies involving surfactants, cosmetic actives, fragrances, and dermatological carriers.
4-tert-Butylcyclohexanol must not be represented as a therapeutic agent without appropriate clinical evidence, regulatory authorization, and finished-product substantiation.

4-tert-Butylcyclohexanol functions as a low-volatility organic component in fragrance-retention and controlled-release research.
4-tert-Butylcyclohexanol supports studies of evaporation, diffusion, adsorption, partitioning, and release from polymeric or porous substrates.
4-tert-Butylcyclohexanol enables comparison of free-alcohol behavior with the more lipophilic behavior of its ester derivatives.
4-tert-Butylcyclohexanol requires temperature and isomer composition to be controlled because both can influence physical state and release rate.

4-tert-Butylcyclohexanol finds application in crystal-growth, polymorphism, and solid-state characterization studies.
4-tert-Butylcyclohexanol provides cis- and trans-rich materials with substantially different melting ranges.
4-tert-Butylcyclohexanol supports investigation of molecular packing, hydrogen bonding, phase transitions, and isomer-dependent crystallization.
4-tert-Butylcyclohexanol enables separation or enrichment strategies based on differences in crystallization and melting behavior.

4-tert-Butylcyclohexanol serves as a calibration or verification material in thermal-analysis methods.
4-tert-Butylcyclohexanol supports differential scanning calorimetry and melting-range measurements used to characterize isomeric composition and purity.
4-tert-Butylcyclohexanol provides distinct thermal behavior for cis-rich, trans-rich, and mixed-isomer samples.
4-tert-Butylcyclohexanol requires carefully documented heating rate, sample history, moisture, and isomer content for reproducible thermal results.

4-tert-Butylcyclohexanol functions as an organic-soluble fragrance intermediate in concentrated perfume oils.
4-tert-Butylcyclohexanol is incorporated through compatible fragrance solvents, alcohols, esters, oils, or warmed blending procedures.
4-tert-Butylcyclohexanol supports fragrance uniformity when crystallization is prevented during storage and use.
4-tert-Butylcyclohexanol requires solubility testing at the lowest expected storage temperature because trans-rich material can have a comparatively high melting point.

4-tert-Butylcyclohexanol finds application in candle, wax, incense, and heated fragrance research after thermal and combustion evaluation.
4-tert-Butylcyclohexanol contributes woody and camphoraceous fragrance character during warming.
4-tert-Butylcyclohexanol supports dry-down performance in compatible wax and carrier systems.
4-tert-Butylcyclohexanol requires assessment of hot-throw odor, cold-throw odor, discoloration, decomposition, wick behavior, and combustion emissions.

4-tert-Butylcyclohexanol serves as a fragrance component in compatible polymer, rubber, leather, and textile scenting systems.
4-tert-Butylcyclohexanol contributes dry woody and leather-associated notes that complement the sensory profile of these substrates.
4-tert-Butylcyclohexanol supports long-lasting odor through its low vapor pressure and affinity for organic matrices.
4-tert-Butylcyclohexanol requires migration, staining, plasticization, adhesion, aging, and material-compatibility testing.

DESCRIPTION

4-tert-Butylcyclohexanol is the common chemical name for Cyclohexanol, 4-(1,1-dimethylethyl)-.
4-tert-Butylcyclohexanol is identified by CAS Number 98-52-2 and EC Number 202-676-4.
4-tert-Butylcyclohexanol has the molecular formula C₁₀H₂₀O.
4-tert-Butylcyclohexanol has a molecular weight of approximately 156.27 g/mol.

4-tert-Butylcyclohexanol contains a cyclohexane ring bearing one hydroxyl group and one tert-butyl substituent.
4-tert-Butylcyclohexanol is a secondary cycloaliphatic alcohol.
4-tert-Butylcyclohexanol contains no aromatic ring despite commonly being produced from an alkylphenol precursor.
4-tert-Butylcyclohexanol combines a polar hydroxyl group with a comparatively hydrophobic hydrocarbon structure.

4-tert-Butylcyclohexanol cis-rich material has been reported with a melting range near 56–59°C.
4-tert-Butylcyclohexanol trans-rich material has been reported with a melting range near 80–83°C.
4-tert-Butylcyclohexanol mixed-isomer commercial grades can melt over broader or intermediate temperature ranges.
4-tert-Butylcyclohexanol melting point should therefore never be interpreted without the associated isomer composition.

4-tert-Butylcyclohexanol has a low vapor pressure compared with many conventional fragrance solvents.
4-tert-Butylcyclohexanol has a measured vapor pressure of approximately 6 Pa at 25°C in the cited registration data.
4-tert-Butylcyclohexanol consequently evaporates more slowly than highly volatile fragrance top-note materials.
4-tert-Butylcyclohexanol can nevertheless produce vapor or aerosol exposure when heated, sprayed, or handled over large exposed surfaces.

4-tert-Butylcyclohexanol has limited water solubility.
4-tert-Butylcyclohexanol has a reported measured water solubility of approximately 264 mg/L at 20°C for the registered substance.
4-tert-Butylcyclohexanol isomer-specific measurements in the same dossier reported approximately 194 mg/L for the trans form and 69 mg/L for the cis form.
4-tert-Butylcyclohexanol normally requires a solvent, emulsifier, solubilizer, or dispersed fragrance phase for incorporation into predominantly aqueous products.

4-tert-Butylcyclohexanol has an estimated octanol–water partition coefficient of approximately log P 3.23 at 25°C.
4-tert-Butylcyclohexanol therefore shows appreciable affinity for oils, fragrance phases, polymers, and biological lipid phases.
4-tert-Butylcyclohexanol is expected to distribute preferentially into organic phases rather than remain entirely in water.
4-tert-Butylcyclohexanol formulation behavior depends on solvent polarity, surfactants, temperature, concentration, and isomer ratio.

4-tert-Butylcyclohexanol is characterized by a dry woody and camphoraceous odor.
4-tert-Butylcyclohexanol can also provide earthy, smoky, leather-like, musty, pine-like, and patchouli-associated nuances.

4-tert-Butylcyclohexanol can also be produced by hydrogenation or reduction of 4-tert-butylcyclohexanone.
4-tert-Butylcyclohexanol obtained from ketone reduction can contain different isomer ratios depending on catalyst and reaction conditions.
4-tert-Butylcyclohexanol stereoselective production is commercially relevant because downstream fragrance esters inherit the alcohol’s ring configuration.
4-tert-Butylcyclohexanol purification can involve catalyst removal, distillation, crystallization, melting, filtration, and isomer enrichment.

4-tert-Butylcyclohexanol is converted to 4-tert-butylcyclohexyl acetate through esterification or acetylation.
4-tert-Butylcyclohexanol can be reacted with acetic anhydride in the presence of a suitable catalyst.
4-tert-Butylcyclohexanol-derived acetate can be purified through neutralization, washing, drying, and rectification.
4-tert-Butylcyclohexanol with high cis content supports manufacture of cis-rich acetate having preferred fragrance characteristics.

4-tert-Butylcyclohexanol undergoes ordinary secondary-alcohol reactions.
4-tert-Butylcyclohexanol can be oxidized to the corresponding ketone.
4-tert-Butylcyclohexanol can be esterified with organic acids or activated acid derivatives.
4-tert-Butylcyclohexanol can also undergo etherification, substitution, dehydration, or derivatization under suitably controlled conditions.

4-tert-Butylcyclohexanol quality depends on more than total chemical assay.
4-tert-Butylcyclohexanol cis content, trans content, residual 4-tert-butylcyclohexanone, residual 4-tert-butylphenol, water, color, and odor are important commercial parameters.
4-tert-Butylcyclohexanol trace impurities can influence fragrance quality even when present at concentrations too low to alter the total assay substantially.
4-tert-Butylcyclohexanol intended for sensory applications should therefore undergo both instrumental and organoleptic evaluation.

4-tert-Butylcyclohexanol can absorb through the gastrointestinal tract and skin according to the physicochemical assessment in the cited registration dossier.
4-tert-Butylcyclohexanol estimated dermal absorption was considered comparatively high in that assessment.
4-tert-Butylcyclohexanol has low vapor pressure, making routine inhalation exposure from an unheated solid less significant than skin or eye contact.
4-tert-Butylcyclohexanol aerosol and heated-vapor exposure remain relevant during spraying, melting, transfer, and cleaning.

4-tert-Butylcyclohexanol showed an acute oral LD₅₀ of approximately 4,200 mg/kg body weight in the cited screening assessment.
4-tert-Butylcyclohexanol showed an acute dermal LD₅₀ greater than 5,000 mg/kg body weight in the cited data.
4-tert-Butylcyclohexanol therefore exhibited comparatively low acute lethality in those animal studies.
4-tert-Butylcyclohexanol should nevertheless not be swallowed, inhaled as aerosol, or allowed prolonged skin contact.

4-tert-Butylcyclohexanol produced no treatment-related effects at 150 mg/kg body weight per day in a cited 28-day oral study.
4-tert-Butylcyclohexanol produced clinical, motor-activity, and body-weight effects at 300 mg/kg body weight per day in that study.
4-tert-Butylcyclohexanol was assigned a repeated-dose NOAEL of 150 mg/kg body weight per day in the registration assessment.
4-tert-Butylcyclohexanol workplace exposure should remain controlled despite its comparatively low acute toxicity.

4-tert-Butylcyclohexanol was not mutagenic or clastogenic in the cited in-vitro screening battery.
4-tert-Butylcyclohexanol test information included bacterial mutation, mammalian-cell mutation, and chromosomal-aberration assessments.
4-tert-Butylcyclohexanol safety evaluation must still consider exposure route, concentration, formulation, impurities, and intended use.
4-tert-Butylcyclohexanol finished fragrance products require assessment under the standards applicable to their product category.

4-tert-Butylcyclohexanol has been identified as presenting a low eye-irritation hazard in the cited registration assessment.
4-tert-Butylcyclohexanol direct eye contact should therefore be prevented through splash control and suitable eye protection.
4-tert-Butylcyclohexanol skin contact should be minimized because repeated exposure can increase systemic absorption and may contribute to irritation in susceptible individuals.
4-tert-Butylcyclohexanol current hazard classification must be confirmed from the latest grade-specific Safety Data Sheet.

4-tert-Butylcyclohexanol is an organic combustible material even though it is a low-volatility solid or paste at room temperature.
4-tert-Butylcyclohexanol can generate carbon monoxide, carbon dioxide, smoke, and irritating organic decomposition products during fire.
4-tert-Butylcyclohexanol heated material can spread more readily after melting.
4-tert-Butylcyclohexanol exact flash point and transport classification should be taken from the current documentation for the actual isomeric grade.

4-tert-Butylcyclohexanol should be protected from strong oxidizing agents.
4-tert-Butylcyclohexanol can undergo oxidation at the secondary alcohol group to form 4-tert-butylcyclohexanone.
4-tert-Butylcyclohexanol compatibility with strong acids, reactive acylating agents, dehydrating agents, and reducing agents should be evaluated before processing.
4-tert-Butylcyclohexanol should not be exposed to uncontrolled heat or incompatible reagents without a documented reaction-hazard assessment.

4-tert-Butylcyclohexanol has limited water solubility and appreciable organic-phase affinity.
4-tert-Butylcyclohexanol should consequently be prevented from entering drains, soil, groundwater, or surface water in concentrated form.
4-tert-Butylcyclohexanol spilled molten material can solidify on cooler surfaces and create a persistent residue.
4-tert-Butylcyclohexanol waste should be collected through an authorized organic-chemical or fragrance-material disposal route.

4-tert-Butylcyclohexanol can be stored as crystals, flakes, pastilles, granules, solid blocks, or molten material depending on grade and temperature.
4-tert-Butylcyclohexanol high-trans grades may require higher conditioning temperatures than cis-rich grades.
4-tert-Butylcyclohexanol heating should be gradual, indirect, and limited to the temperature needed for safe pumping or blending.
4-tert-Butylcyclohexanol localized overheating should be avoided because it can produce odor deterioration, discoloration, oxidation, or decomposition.

4-tert-Butylcyclohexanol quality control commonly includes appearance, odor, assay, cis/trans ratio, melting range, water content, color, and chromatographic impurities.
4-tert-Butylcyclohexanol may be identified by infrared spectroscopy, gas chromatography, mass spectrometry, and nuclear magnetic resonance spectroscopy.
4-tert-Butylcyclohexanol thermal analysis can assist in distinguishing cis-rich, trans-rich, and mixed-isomer material.
4-tert-Butylcyclohexanol current certificate of analysis should define the limits applicable to the intended fragrance, synthesis, analytical, or technical grade.

PROPERTIES

Chemical Name: 4-tert-Butylcyclohexanol
Systematic Name: 4-(tert-Butyl)cyclohexan-1-ol
Registry Name: Cyclohexanol, 4-(1,1-dimethylethyl)-
CAS Number: 98-52-2
EC Number: 202-676-4
PubChem CID: 7391
Molecular Formula: C₁₀H₂₀O
Molecular Weight: 156.27 g/mol
Exact Molecular Weight: Approximately 156.1514 Da
InChIKey: CCOQPGVQAWPUPE-UHFFFAOYSA-N
Chemical Family: Alkyl-substituted cyclohexanols
Chemical Classification: Secondary cycloaliphatic alcohol
Functional Group: Secondary hydroxyl group
Carbon Number: 10
Stereoisomers: Cis and trans
General Commercial Identity: Cis/trans isomer mixture unless otherwise specified
Physical State: Crystalline, waxy, pasty, or viscous solid near room temperature
Appearance: White to off-white solid
Odor: Dry, woody, camphoraceous, earthy, leathery, and patchouli-like
Odor Type: Woody
cis-Rich Melting Range: Approximately 56–59°C
trans-Rich Melting Range: Approximately 80–83°C
Mixed-Isomer Melting Range: Grade- and isomer-ratio-dependent
Boiling Point: Grade-specific; refer to current technical documentation
Vapor Pressure at 25°C: Approximately 6 Pa
Water Solubility at 20°C: Approximately 264 mg/L for the registered mixed substance
Reported trans-Isomer Water Solubility: Approximately 194 mg/L
Reported cis-Isomer Water Solubility: Approximately 69 mg/L
Log Pow at 25°C: Approximately 3.23
Volatility: Low under ordinary ambient conditions
Organic-Phase Affinity: Moderate to high
Primary Function: Fragrance ingredient
Primary Odor Application: Woody, patchouli, camphoraceous, earthy, and leather fragrance accords
Primary Intermediate Application: Manufacture of 4-tert-butylcyclohexyl acetate
Additional Intermediate Applications: Esters, ketones, ethers, and specialty cycloaliphatic derivatives
Production Route: Catalytic hydrogenation of 4-tert-butylphenol
Alternative Production Route: Reduction or hydrogenation of 4-tert-butylcyclohexanone
Common Catalyst Types: Rhodium, ruthenium, palladium, nickel, and related supported hydrogenation catalysts
Isomer-Control Importance: High
Acute Oral LD₅₀: Approximately 4,200 mg/kg body weight in cited animal data
Acute Dermal LD₅₀: Greater than 5,000 mg/kg body weight in cited animal data
Repeated-Dose Oral NOAEL: 150 mg/kg body weight per day in a cited 28-day study
Repeated-Dose Oral LOAEL: 300 mg/kg body weight per day in the cited 28-day study
Eye Hazard: Low irritation hazard identified in cited registration assessment
Skin Absorption Potential: Considered comparatively high in cited physicochemical assessment
Genotoxicity Summary: No mutagenic or chromosomal-damage response in cited in-vitro screening studies
Worker Long-Term Inhalation DNEL: 1.76 mg/m³ in the cited registration assessment
Worker Long-Term Dermal DNEL: 0.5 mg/kg body weight per day in the cited registration assessment
Combustibility: Combustible organic solid
Flash Point: Grade-specific; refer to the current Safety Data Sheet
Autoignition Temperature: Grade-specific; refer to the current Safety Data Sheet
Chemical Stability: Stable under recommended storage conditions
Incompatible Materials: Strong oxidizing agents and other reactive materials identified in the current Safety Data Sheet
Oxidation Product: 4-tert-Butylcyclohexanone
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, smoke, and irritating organic fumes
Environmental Precaution: Prevent concentrated release to drains, soil, groundwater, and surface water
Recommended Storage: Cool, dry, tightly closed, and well-ventilated storage
Temperature Precaution: Protect from excessive heat and repeated uncontrolled melting cycles
Moisture Precaution: Keep dry and protect from contamination
Quality-Control Parameters: Appearance, odor, assay, cis/trans ratio, melting range, water, color, ketone content, phenol content, and chromatographic impurities
Current Data Requirement: Confirm isomer ratio, physical form, melting range, classification, transport status, and shelf life from the current grade-specific documentation.

FIRST AID

Inhalation:
Move the affected person to fresh air.
Keep the person at rest in a position comfortable for breathing.
Avoid further exposure to 4-tert-Butylcyclohexanol vapor, aerosol, dust, smoke, or thermal-decomposition fumes.
Obtain medical attention if coughing, headache, dizziness, nausea, breathing discomfort, or other symptoms develop or persist.

Skin Contact:
Remove contaminated clothing and footwear.
Wash the affected skin thoroughly with soap and plenty of water.
Continue rinsing if redness, irritation, itching, or discomfort is present.
Obtain medical advice if symptoms persist or extensive contact with molten material has occurred.
Wash contaminated clothing before reuse.

Eye Contact:
Rinse the eyes immediately with plenty of clean, gently flowing water.
Hold the eyelids open to ensure complete irrigation.
Remove contact lenses when present and easy to do, then continue rinsing.
Continue rinsing for at least 15 minutes.
Obtain medical attention if pain, redness, tearing, blurred vision, or irritation persists.

Ingestion:
Rinse the mouth thoroughly with water.
Do not induce vomiting unless directed by qualified medical personnel or a poison center.
Never give anything by mouth to an unconscious or convulsing person.
Obtain medical advice following significant ingestion or if nausea, vomiting, abdominal discomfort, dizziness, or other symptoms develop.
Provide the current 4-tert-Butylcyclohexanol Safety Data Sheet to medical personnel.

Note to Physicians:
No substance-specific antidote should be assumed.
Provide supportive care and treat according to the patient’s symptoms and clinical condition.
Assess the eyes, skin, respiratory tract, gastrointestinal system, and neurological condition following significant exposure.
Treat thermal burns separately when exposure involved molten 4-tert-Butylcyclohexanol.
Use current poison-center guidance and the grade-specific Safety Data Sheet as the primary medical references.

HANDLING AND STORAGE

Handling:
Handle 4-tert-Butylcyclohexanol in accordance with good industrial-hygiene and chemical-safety practices.
Review the current technical specification and Safety Data Sheet before opening, melting, transferring, sampling, or processing the material.
Avoid unnecessary contact with the skin, eyes, and clothing.
Do not breathe dust, vapor, aerosol, smoke, or thermal-decomposition fumes.
Use closed or low-exposure transfer and blending systems wherever reasonably practicable.
Condition solid material gradually before pumping or incorporation when melting is required.
Use indirect and temperature-controlled heating rather than open flames or uncontrolled direct heating.
Avoid heating above the minimum temperature required to obtain a workable liquid.
Use clean, dry, and chemically compatible equipment for sampling, weighing, melting, pumping, and transfer.
Prevent contamination with oxidizing agents, acids, bases, catalysts, water, dirt, and process residues.
Wash the hands, face, and exposed skin thoroughly after handling.
Do not eat, drink, or smoke in areas where 4-tert-Butylcyclohexanol is processed.
Keep containers tightly closed when the material is not being sampled or transferred.

Ventilation:
Provide adequate general ventilation in storage and processing areas.
Use local exhaust ventilation near melting vessels, heated transfer points, mixers, reactors, filling stations, and sampling locations.
Capture vapor, aerosol, and smoke at the source rather than allowing contamination to spread through the workplace.
Provide additional ventilation when 4-tert-Butylcyclohexanol is heated, sprayed, atomized, or processed over large open surfaces.
Use suitable respiratory protection when engineering controls cannot adequately limit inhalation exposure.
Select respiratory equipment through a documented workplace exposure assessment.
Ensure that exhaust systems do not discharge concentrated vapor or aerosol into occupied or environmentally sensitive areas.
Inspect and maintain ventilation systems regularly.

Storage:
Store 4-tert-Butylcyclohexanol in tightly closed and correctly labeled containers.
Keep the material in a cool, dry, and adequately ventilated location.
Protect 4-tert-Butylcyclohexanol from direct sunlight, excessive heat, flames, sparks, contamination, and physical damage.
Keep 4-tert-Butylcyclohexanol separated from strong oxidizing agents and incompatible reactive chemicals.
Maintain the storage-temperature range specified for the particular cis/trans grade.
Recognize that high-trans material may remain solid at temperatures where cis-rich material has already softened.
Use suitable heating jackets or temperature-controlled storage only when permitted by the current product documentation.
Avoid repeated uncontrolled heating and cooling cycles that can promote oxidation, odor change, crystallization, or packaging stress.
Prevent water, dirt, rust, oxidants, acids, bases, and process residues from entering opened containers.
Carefully reseal partially used containers immediately after sampling or transfer.
Use first-in, first-out stock rotation within the stated shelf life.
Inspect stored material for discoloration, unusual odor, contamination, damaged packaging, or irreversible physical change before use.

Spill and Leak Procedures:
Restrict access to the affected area and remove unnecessary personnel.
Eliminate ignition sources when this can be done safely.
Provide effective ventilation before beginning recovery operations.
Wear suitable gloves, protective clothing, eye protection, and respiratory protection as required.
Allow spilled molten 4-tert-Butylcyclohexanol to cool and solidify when this can be done safely.
Avoid direct contact with hot liquid because severe thermal burns may occur.
Collect solid material using non-sparking mechanical tools or another suitable low-dust method.
Recover pumpable warm liquid into chemically compatible and correctly labeled containers when practicable.
Contain remaining material with sand, earth, vermiculite, or another compatible inert absorbent.
Prevent 4-tert-Butylcyclohexanol from entering drains, sewers, soil, groundwater, or surface water.
Clean the affected surface thoroughly because residual waxy or oily material can create a slipping hazard.
Collect recovered material and contaminated cleaning residues in tightly closed waste containers.
Dispose of recovered material through an authorized organic-chemical waste route.

Handling Precautions:
Wear chemical-resistant protective gloves selected from documented compatibility and permeation data.
Use safety spectacles with side protection or tightly fitting chemical goggles.
Wear a face shield in addition to goggles where molten-material splashing is reasonably foreseeable.
Use heat-resistant gloves, protective sleeves, and suitable footwear during handling of warmed or molten material.
Use protective clothing capable of limiting repeated skin exposure.
Provide accessible eyewash and emergency-shower equipment near major handling locations.
Inspect containers, heating systems, pumps, hoses, valves, seals, gaskets, and transfer connections before use.
Use equipment compatible with cycloaliphatic alcohols and the intended processing temperature.
Avoid open flames, uncontrolled hot surfaces, and equipment capable of producing local overheating.
Do not mix 4-tert-Butylcyclohexanol with strong oxidizing agents or unfamiliar reactive chemicals without a documented compatibility assessment.
Monitor temperature continuously during melting, esterification, oxidation, or other reactive processing.
Confirm the cis/trans specification before fragrance formulation, ester manufacture, analytical use, or thermal processing.
Review the current technical specification, Safety Data Sheet, certificate of analysis, occupational requirements, environmental regulations, and transport rules before production, formulation, storage, cleaning, or disposal.